4-(methanesulfonyl)-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
Chemical Structure Depiction of
4-(methanesulfonyl)-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
4-(methanesulfonyl)-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
Compound characteristics
| Compound ID: | S555-2052 |
| Compound Name: | 4-(methanesulfonyl)-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine |
| Molecular Weight: | 270.35 |
| Molecular Formula: | C12 H18 N2 O3 S |
| Smiles: | CN(C)c1ccc2c(CN(CCO2)S(C)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.6021 |
| logD: | 1.5867 |
| logSw: | -2.4464 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.462 |
| InChI Key: | BTTCVGVBZAFKRW-UHFFFAOYSA-N |